N-(1-Cyanovinyl)benzamide
TL;DR: N-(1-Cyanovinyl)benzamide (CAS 959014-77-8) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanoethenyl)benzamide
Also Known As: N-(1-Cyanovinyl)benzamide, N-(1-cyanoethenyl)benzamide, N-(1-Cyanoethen-1-yl)benzamide, BENZAMIDE, N-(1-CYANOETHENYL)-, RefChem:359898
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 959014-77-8 |
|---|---|
| SMILES | C=C(C#N)NC(=O)C1=CC=CC=C1 |
| InChIKey | HHBJOQSILLECFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-Cyanovinyl)benzamide (CAS 959014-77-8), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: N-(1-cyanoethenyl)benzamide.
Chemical Property Profile of N-(1-Cyanovinyl)benzamide
Property Insights of N-(1-Cyanovinyl)benzamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Cyanovinyl)benzamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(1-Cyanovinyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Cyanovinyl)benzamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-Cyanovinyl)benzamide?
The CAS number of N-(1-Cyanovinyl)benzamide is 959014-77-8.
What is the molecular formula of N-(1-Cyanovinyl)benzamide?
The molecular formula of N-(1-Cyanovinyl)benzamide is C10H8N2O.
What is the molecular weight of N-(1-Cyanovinyl)benzamide?
The molecular weight of N-(1-Cyanovinyl)benzamide is 172.06 g/mol.
Where can I buy N-(1-Cyanovinyl)benzamide?
You can request a quote for N-(1-Cyanovinyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Cyanovinyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Cyanovinyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.